1-[(3S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-methyl-thiourea

Systemtic Name: 1-[(3S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-methyl-thiourea Openeye Name: 1-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-3-methyl-thiourea CAS Name: 1-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3-methylthiourea IUPAC Name: 1-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methylthiourea Traditional Name: 1-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-3-methyl-thiourea Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=S)NC)O)C

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=CC(=C2)C#N)NC(=S)NC)O)C

InChI

InChI=1S/C14H17N3O2S/c1-14(2)12(18)11(17-13(20)16-3)9-6-8(7-15)4-5-10(9)19-14/h4-6,11-12,18H,1-3H3,(H2,16,17,20)/t11?,12-/m0/s1